CID 798971

3-chloro-n-cycloheptylbenzamide

Structural Information

Molecular Formula
C14H18ClNO
SMILES
C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H18ClNO/c15-12-7-5-6-11(10-12)14(17)16-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9H2,(H,16,17)
InChIKey
CFAOEBFSQCPXKM-UHFFFAOYSA-N
Compound name
3-chloro-N-cycloheptylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

251.1077 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.114976 155.2
[M+Na]+ 274.096918 158.8
[M-H]- 250.100424 161.5
[M+NH4]+ 269.141523 171.4
[M+K]+ 290.070858 159.0
[M+H-H2O]+ 234.104960 149.1
[M+HCOO]- 296.105901 170.9
[M+CH3COO]- 310.121551 195.2
[M+Na-2H]- 272.082366 158.0
[M]+ 251.10715142 148.9
[M]- 251.10824858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.